2,2-dichloro-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide

C8H4Cl2F5N3OS — CID 139221874

IUPAC2,2-dichloro-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)C1CC1(Cl)Cl
InChIInChI=1S/C8H4Cl2F5N3OS/c9-6(10)1-2(6)3(19)16-5-18-17-4(20-5)7(11,12)8(13,14)15/h2H,1H2,(H,16,18,19)
InChIKeyQKSAZTRYSNRFAB-UHFFFAOYSA-N
MW356.10 g/mol
LogP3.32
Rot. Bonds3

About 2,2-dichloro-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide

2,2-dichloro-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 139221874) has the molecular formula C8H4Cl2F5N3OS and a molecular weight of 356.10 g/mol. Its IUPAC name is 2,2-dichloro-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID139221874
Molecular FormulaC8H4Cl2F5N3OS
Molecular Weight356.10 g/mol
Exact Mass354.94
IUPAC Name2,2-dichloro-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)C1CC1(Cl)Cl
InChIInChI=1S/C8H4Cl2F5N3OS/c9-6(10)1-2(6)3(19)16-5-18-17-4(20-5)7(11,12)8(13,14)15/h2H,1H2,(H,16,18,19)
InChIKeyQKSAZTRYSNRFAB-UHFFFAOYSA-N
XLogP3.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.10
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2-dichloro-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide (CID 139221874) is 2,2-dichloro-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide is O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is QKSAZTRYSNRFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F5N3OS/c9-6(10)1-2(6)3(19)16-5-18-17-4(20-5)7(11,12)8(13,14)15/h2H,1H2,(H,16,18,19).
What are the key properties of 2,2-dichloro-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
2,2-dichloro-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 356.10 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 139221874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).